input word = C00001787

Metabolite InformationStructural formula
Name Vobtusine
Formula C43H50N4O6
Mw 718.37303536
CAS RN 19772-79-3
C_ID C00001787 ,
InChIKey IIMPGJMHQMBXKL-XCGKBCEANA-N
InChICode InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1
SMILES COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(CC5C[C@]67CCO[C@H]6CCN6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeVoacanga africana Stapf. Ref.
PlantaeApocynaceaeVoacanga obtusa Ref.
PlantaeApocynaceaeVoacanga spp. Ref.
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OrganismVoacanga spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter20